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	hartrees
Energy at 0K	-7776.164022
Energy at 298.15K	-7776.173336
HF Energy	-7776.164022
Nuclear repulsion energy	824.135724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	460	442	1.17
2	A₁	221	213	0.44
3	E	597	573	56.85
3	E	597	573	56.84
4	E	152	145	0.47
4	E	152	145	0.47

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.614
Br2	0.000	1.806	-0.041
Br3	1.564	-0.903	-0.041
Br4	-1.564	-0.903	-0.041

	N1	Br2	Br3	Br4
N1		1.9211	1.9211	1.9211
Br2	1.9211		3.1282	3.1282
Br3	1.9211	3.1282		3.1282
Br4	1.9211	3.1282	3.1282

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	109.011		Br2	N1	Br4	109.011
Br3	N1	Br4	109.011

All results from a given calculation for NBr₃ (Nitrogen Tribromide)

using model chemistry: PBE1PBE/TZVP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	N	-0.194
2	Br	0.065
3	Br	0.065
4	Br	0.065

	x	y	z	Total
	0.000	0.000	-0.754	0.754
CHELPG
AIM
ESP

<r²>	381.892
(<r²>)^1/2	19.542

All results from a given calculation for NBr3 (Nitrogen Tribromide)

using model chemistry: PBE1PBE/TZVP

States and conformations

All results from a given calculation for NBr₃ (Nitrogen Tribromide)